NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4796 8.1633 120.2866 55.0222 33.9263 174.4777 2 T 3.8181 8.5081 121.0369 63.9801 69.1895 171.9830 3 Y 5.1453 9.5203 123.4335 56.3991 42.9553 173.7742 4 K 5.3640 9.2885 123.3176 54.6934 36.3172 174.3384 5 L 4.6541 8.8120 127.8816 53.2129 45.5676 175.3670 6 I 4.2559 8.2007 127.0342 60.1037 38.1657 175.0027 7 L 4.2845 8.8027 129.7707 53.6452 40.3308 176.3424 8 N 4.6388 8.2058 127.8730 51.7693 37.2006 173.4413 9 G 4.3875 8.3690 110.7956 44.4690 0.0000 171.8183 10 K 3.9831 10.2859 121.1337 59.2450 32.1079 177.5253 11 T 4.2660 7.6217 106.0885 62.3201 70.5878 173.8281 12 L 4.0688 7.7362 123.8925 54.7162 41.0566 174.4712 13 K 4.9534 8.2211 125.3874 54.5296 34.0401 176.2380 14 G 4.2181 9.1713 110.5757 45.3759 0.0000 171.9335 15 E 5.1249 8.8515 123.5870 55.2777 31.5512 175.5668 16 T 4.9678 8.7156 112.0868 60.6305 72.5596 172.6737 17 T 5.3536 8.2544 112.7411 61.0003 72.3665 172.4655 18 T 4.3067 8.9204 115.7626 62.0795 71.6516 170.7295 19 E 5.4440 9.2885 120.3712 53.0094 33.4871 175.1548 20 A 4.4699 9.1005 125.8518 52.4544 22.0668 177.6704 21 V 3.7119 8.7110 113.3962 63.9287 32.4672 176.5070 22 D 5.3279 7.7166 118.8746 51.7477 42.1278 175.6194 23 A 3.4943 8.5477 118.1367 54.5561 18.8277 179.6535 24 A 3.8453 7.8645 119.1146 55.5591 18.4306 179.8314 25 T 3.6606 9.9924 114.0076 66.5784 68.3994 176.5356 26 A 3.8455 7.1755 121.2779 55.1995 17.8005 179.0644 27 E 3.4140 7.8492 117.7897 59.2183 29.5809 179.1777 28 K 3.8380 7.9660 118.3622 59.4517 32.1871 179.3217 29 V 3.4934 8.2793 119.2338 66.0916 31.3110 178.0899 30 F 4.3071 8.8881 118.4597 60.4371 38.5618 177.3640 31 K 4.4680 9.4169 119.9240 60.3504 31.6893 177.7977 32 Q 4.2560 8.7741 119.7513 59.3787 28.7315 177.4288 33 Y 4.2278 8.4131 119.5352 60.9106 38.5757 178.5622 34 A 4.0095 8.9728 121.6830 55.3460 18.4530 179.3466 35 N 4.4108 9.2757 115.7133 56.6953 38.4613 177.2047 36 D 4.2796 9.2918 118.8027 57.5777 41.0550 178.1431 37 N 4.5286 8.3511 114.5457 52.9747 38.5482 175.5816 38 G 3.8006 8.6083 109.4920 46.1435 0.0000 173.4572 39 V 4.5748 8.2162 119.6013 60.8126 34.0725 174.2192 40 D 4.3069 8.3995 127.3523 56.9810 45.8171 174.5921 41 G 4.1165 9.7583 111.0788 44.0915 0.0000 172.9107 42 E 4.5108 7.1260 119.4280 54.8750 32.4937 175.8504 43 W 4.7976 8.7415 124.4114 55.3533 31.7983 173.9363 44 T 4.8551 8.9681 119.9708 60.5863 70.0493 172.0662 45 Y 4.9009 8.2183 125.6414 56.5730 41.9839 172.8846 46 D 4.5472 7.4396 124.2673 52.3015 44.4043 176.1371 47 A 4.1897 8.1947 124.5765 53.3360 20.0236 179.0529 48 A 4.0796 8.3567 118.5240 55.6035 18.6144 178.9754 49 T 4.0028 10.1131 105.1000 62.1419 69.2985 175.7256 50 K 4.2824 7.2732 119.0863 57.5715 30.3525 174.7272 51 T 5.0902 7.2154 114.0891 62.0135 71.7426 173.6346 52 F 4.9781 10.2518 123.9297 56.7089 41.5958 175.0373 53 T 4.9052 9.3440 110.9345 60.2570 72.1125 172.9682 54 V 4.5345 8.0057 123.0590 62.0616 35.4013 173.6412 55 T 5.1056 7.8978 118.1235 63.6069 73.8264 173.6262 56 E 4.6897 8.4307 122.4604 55.8436 29.9451 176.1594 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.48 0.00 1.74 2.52 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 2 T 8.51 3.82 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 3 Y 9.52 5.15 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.29 5.36 0.00 1.94 1.73 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.60 7.81 5 L 8.81 4.65 0.00 0.27 0.13 0.64 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.20 4.26 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 0.94 0.00 0.00 7 L 8.80 4.28 0.00 1.89 1.61 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.21 4.64 0.00 2.74 2.83 0.00 0.00 6.99 8.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.37 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 10.29 3.98 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.42 7.81 11 T 7.62 4.27 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 12 L 7.74 4.07 0.00 1.68 1.60 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.22 4.95 0.00 1.63 1.70 0.00 1.87 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.53 7.81 14 G 9.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.85 5.12 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 16 T 8.72 4.97 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 17 T 8.25 5.35 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 18 T 8.92 4.31 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 19 E 9.29 5.44 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 20 A 9.10 4.47 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.71 3.71 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 22 D 7.72 5.33 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.55 3.49 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.86 3.85 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 9.99 3.66 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 26 A 7.18 3.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.85 3.41 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.52 0.00 28 K 7.97 3.84 0.00 2.01 1.74 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.36 7.81 29 V 8.28 3.49 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.84 0.00 0.00 30 F 8.89 4.31 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.42 4.47 0.00 1.55 1.79 0.00 1.27 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.37 7.81 32 Q 8.77 4.26 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.82 0.00 33 Y 8.41 4.23 0.00 3.15 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.97 4.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 9.28 4.41 0.00 2.91 2.91 0.00 0.00 7.48 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.29 4.28 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.35 4.53 0.00 2.11 2.57 0.00 0.00 6.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.61 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.22 4.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 40 D 8.40 4.31 0.00 2.80 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.76 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.13 4.51 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 43 W 8.74 4.80 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.97 4.86 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 45 Y 8.22 4.90 0.00 2.51 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.44 4.55 0.00 2.53 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.19 4.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.36 4.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 10.11 4.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 50 K 7.27 4.28 0.00 2.05 1.96 0.00 1.51 0.00 0.00 1.93 0.00 0.00 3.34 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.55 7.81 51 T 7.22 5.09 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 52 F 10.25 4.98 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.34 4.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 54 V 8.01 4.53 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 -1.11 0.00 0.00 55 T 7.90 5.11 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 56 E 8.43 4.69 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.13 0.00